2-chloro-N-(4-methoxyphenyl)-4-nitrobenzamide
Basic information
- CAS
178803-94-6- Standard SMILES
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
XZUZYWXFHNWBJT-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O4
- Average molar mass
- 306.7 g/mol
- Monoisotopic mass
- 306.0407345
Names & identifiers
- Preferred name
- 2-chloro-N-(4-methoxyphenyl)-4-nitrobenzamide
- IUPAC
- 2-chloro-N-(4-methoxyphenyl)-4-nitrobenzamide
- English name
- 2-Chloro-N-(4-Methoxyphenyl)-4-nitrobenzaMide, 97%
- Molecular formula
- C14H11ClN2O4
- Molecular weight
- 306.7
Names & synonyms
2-chloro-N-(4-methoxyphenyl)-4-nitrobenzamide178803-94-6ZINC102116starbld0001614Oprea1_279744Oprea1_405774SCHEMBL9423772MFCD01188650STK087619ZINC00102116AKOS000670724ST010848
Show more names
Benzamide, 2-chloro-N-(4-methoxyphenyl)-4-nitro-2-Chloro-N-(4-Methoxyphenyl)-4-nitrobenzaMide, 97%
ZINC0000001021162-chloro-4-nitro-N-(4-methoxyphenyl)benzamide2CHLORO4NITRON(4METHOXYPHENYL)BENZAMIDE2CHLORON(4METHOXYPHENYL)4NITROBENZAMIDEAG-690/11634839COc1ccc(cc1)NC(=O)c1ccc(cc1Cl)(N+)(=O)(O)(2-chloro-4-nitrophenyl)-N-(4-methoxyphenyl)carboxamide(2CHLORO4NITROPHENYL)N(4METHOXYPHENYL)CARBOXAMIDE
Database identifiers
- CAS
178803-94-6- PubChem CID
- 710902
- EC Number
- 169-568-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 404.8 · 404.8±45.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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